ethyl 2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-7-phenyl-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-7-phenyl-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-7-phenyl-5-(4-pyridyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-nitrophenyl)methylthio]-4-oxo-7-phenyl-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-7-phenyl-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2-[(4-nitrobenzyl)thio]-7-phenyl-5-(4-pyridyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C28H23N5O5S MolecularWeight: 541.57772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=NC=C3)C(=O)N=C(N2)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=NC=C3)C(=O)N=C(N2)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H23N5O5S/c1-2-38-27(35)22-21(18-12-14-29-15-13-18)23-25(30-24(22)19-6-4-3-5-7-19)31-28(32-26(23)34)39-16-17-8-10-20(11-9-17)33(36)37/h3-15,21H,2,16H2,1H3,(H2,30,31,32,34)